SCHEMBL28010657

SCHEMBL28010657

C=C=C(CCC=C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
IDH1 O75874 1/20 0.33
OGG1 O15527 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR4A2 P43354 1/20 0.31
ACHE P22303 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11663847 0.78 POLB (0.35) ALDH1A1LMNAHPGDPOLBL3MBTL1
SCHEMBL1678464 0.74 MAOA (0.45) AKT1ALDH1A1LMNAHPGDIDH1
SCHEMBL30051272 0.72 AKT1 (0.39) AKT1ALDH1A1LMNAHPGDIDH1
SCHEMBL317112 0.72 MAPT (0.57) AKT1ALDH1A1LMNAHPGDPOLB
SCHEMBL7591365 0.72 POLB (0.40) AKT1ALDH1A1LMNAHPGDIDH1
SCHEMBL1173628 0.71 ATM (0.45) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL16660765 0.71 PTPN1 (0.46) ALDH1A1HPGDMAPTTDP1
SCHEMBL9702758 0.71 HDAC1 (0.38) HPGDPOLBL3MBTL1MAPTTDP1
SCHEMBL24740546 0.69 DRD4 (0.40) AKT1ALDH1A1LMNAHPGDIDH1
SCHEMBL9013220 0.69 DRD4 (0.40) AKT1ALDH1A1LMNAHPGDIDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104672143-A Method for high-selectivity synthesis of octatomic benzocyclic lactam UNIV ZHEJIANG 2015-06-03 CN disclosed